butan-2-yl 2-[1-(3-bromanyl-4-hexoxy-phenyl)carbonyl-3-oxidanylidene-piperazin-2-yl]ethanoate

Systemtic Name: butan-2-yl 2-[1-(3-bromanyl-4-hexoxy-phenyl)carbonyl-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: sec-butyl 2-[1-(3-bromo-4-hexoxy-benzoyl)-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[(3-bromo-4-hexoxyphenyl)-oxomethyl]-3-oxo-2-piperazinyl]acetic acid butan-2-yl ester IUPAC Name: butan-2-yl 2-[1-(3-bromo-4-hexoxybenzoyl)-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-(3-bromo-4-hexoxy-benzoyl)-3-keto-piperazin-2-yl]acetic acid sec-butyl ester Formula: C23H33BrN2O5 MolecularWeight: 497.42252

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)C(=O)N2CCNC(=O)C2CC(=O)OC(C)CC)Br

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)C(=O)N2CCNC(=O)C2CC(=O)OC(C)CC)Br

InChI

InChI=1S/C23H33BrN2O5/c1-4-6-7-8-13-30-20-10-9-17(14-18(20)24)23(29)26-12-11-25-22(28)19(26)15-21(27)31-16(3)5-2/h9-10,14,16,19H,4-8,11-13,15H2,1-3H3,(H,25,28)